CAS
310881-39-1 Purity
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310881-39-1 Purity
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4-tert-Butylbenzylisothiocyanate
CAS
31088-81-0
Catalog Number
ACM31088810
Category
Other Products
Molecular Weight
205.319200 [g/mol]
Molecular Formula
C12H15NS
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Specification
Synonyms
31088-81-0, Benzene, 1-(1,1-dimethylethyl)-4-(isothiocyanatomethyl)-, AGN-PC-002LJN, 4-tert-butylbenzylisothiocyanate, CTK1C0020, 4-tert-Butylbenzyl isothiocyanate, 1-tert-Butyl-4-isothiocyanatomethyl-benzene, A5644
IUPAC Name
1-tert-butyl-4-(isothiocyanatomethyl)benzene
Canonical SMILES
CC(C)(C)C1=CC=C(C=C1)CN=C=S
InChI Key
AJKWITCBFDFVKG-UHFFFAOYSA-N
Boiling Point
296.2ºC at 760 mmHg
Flash Point
137.1ºC
Density
0.96
Exact Mass
205.09300
H-Bond Acceptor
2
H-Bond Donor
0
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